(2S,3S)-3-[4-(4-chlorophenyl)phenyl]carbonyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[4-(4-chlorophenyl)phenyl]carbonyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S)-3-[4-(4-chlorophenyl)benzoyl]-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S)-1-[anilino(oxo)methyl]-3-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S)-3-[4-(4-chlorophenyl)benzoyl]-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S)-3-[4-(4-chlorophenyl)benzoyl]-1-(phenylcarbamoyl)proline Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H]([C@H]1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c26-19-12-10-17(11-13-19)16-6-8-18(9-7-16)23(29)21-14-15-28(22(21)24(30)31)25(32)27-20-4-2-1-3-5-20/h1-13,21-22H,14-15H2,(H,27,32)(H,30,31)/t21-,22-/m0/s1